4-nitrobenzoic acid [(1R,4R,4aR,5R,6R,8aS)-5-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]-4,7-dimethyl-6-[(E)-1-methyl-3-(4-nitrobenzoyl)oxy-prop-1-enyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl] ester

SpectraBase Compound ID	JdZ4OR9jnbr
InChI	InChI=1S/C36H38N2O10/c1-22-9-18-31(48-36(41)26-12-16-28(17-13-26)38(44)45)30-21-24(3)33(29(34(22)30)7-5-6-8-32(39)46-4)23(2)19-20-47-35(40)25-10-14-27(15-11-25)37(42)43/h5-8,10-17,19,21-22,29-31,33-34H,9,18,20H2,1-4H3/b7-5+,8-6+,23-19+/t22-,29+,30+,31-,33+,34-/m1/s1
InChIKey	SCAUWGVIPCQQOB-DCMNDMNASA-N Google Search
Mol Weight	658.7 g/mol
Molecular Formula	C36H38N2O10
Exact Mass	658.252645 g/mol

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SpectraBase Spectrum ID	4M1bFJz20we
Name	4-nitrobenzoic acid [(1R,4R,4aR,5R,6R,8aS)-5-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]-4,7-dimethyl-6-[(E)-1-methyl-3-(4-nitrobenzoyl)oxy-prop-1-enyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl] ester
Compound Number	8
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C36H38N2O10
InChI	InChI=1S/C36H38N2O10/c1-22-9-18-31(48-36(41)26-12-16-28(17-13-26)38(44)45)30-21-24(3)33(29(34(22)30)7-5-6-8-32(39)46-4)23(2)19-20-47-35(40)25-10-14-27(15-11-25)37(42)43/h5-8,10-17,19,21-22,29-31,33-34H,9,18,20H2,1-4H3/b7-5+,8-6+,23-19+/t22-,29+,30+,31-,33+,34-/m1/s1
InChIKey	SCAUWGVIPCQQOB-DCMNDMNASA-N
Literature Reference Author	D.N.QUANG,M.STADLER,J.FOURNIER,Y.ASAKAWA
Literature Reference Citation	J.NAT.PROD.,69,1198(2006)
Literature Reference DOI	10.1021/np0602057
Molecular Weight	658.705 g/mol
Solvent	CDCl3
Source File Reference	UWMZ15593